Task 38678682
| Name | test_714-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9710_0 |
| Workunit | 31620490 |
| Created | 26 Oct 2026, 18:10:56 UTC |
| Sent | 26 Oct 2026, 18:10:59 UTC |
| Report deadline | 31 Oct 2026, 18:10:59 UTC |
| Received | 26 Oct 2026, 19:35:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 539539 |
| Run time | 1 hours 0 min 8 sec |
| CPU time | 58 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,056.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.96 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:35:47 (11740): wrapper (7.9.26016): starting
19:35:47 (11740): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
19:35:48 (11740): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:35:48 (11740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:35:08 (11740): C:/Windows/system32/cmd.exe exited; CPU time 3498.015625
20:35:08 (11740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 55192408 bytes.
Dumping objects ->
{3835272} normal block at 0x00000251E9E21B10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835261} normal block at 0x00000251E9E21CD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x00000251E9E21FE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835239} normal block at 0x00000251E9E21AA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x00000251E9E21E20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835197} normal block at 0x00000251EB92B600, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x00000251EBA450A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835183} normal block at 0x00000251E9E18100, 8 bytes long.
Data: < ÛéQ > 00 00 DB E9 51 02 00 00
{3834555} normal block at 0x00000251EBA45640, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000251E9E17FC0, 8 bytes long.
Data: <À*ééQ > C0 2A E9 E9 51 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000251E9E20990, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000251E9E0A960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000251E9E22550, 16 bytes long.
Data: <Ø7âéQ > D8 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251E9E226E0, 16 bytes long.
Data: <°7âéQ > B0 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000251E9E1E440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000251E9E22410, 16 bytes long.
Data: < 7âéQ > 88 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000251E9E22960, 16 bytes long.
Data: <`7âéQ > 60 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251E9E22190, 16 bytes long.
Data: <87âéQ > 38 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251E9E223C0, 16 bytes long.
Data: < 7âéQ > 10 37 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000251E9E21C60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000251E9E22370, 16 bytes long.
Data: <XÔáéQ > 58 D4 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000251E9E1DE40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000251E9E220F0, 16 bytes long.
Data: <0ÔáéQ > 30 D4 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000251E9E229B0, 16 bytes long.
Data: < ÔáéQ > 08 D4 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251E9E22BE0, 16 bytes long.
Data: <àÓáéQ > E0 D3 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000251E9E22B90, 16 bytes long.
Data: <¸ÓáéQ > B8 D3 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251E9E22F00, 16 bytes long.
Data: < ÓáéQ > 90 D3 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251E9E22B40, 16 bytes long.
Data: <hÓáéQ > 68 D3 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000251E9E1DA80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000251E9E23040, 16 bytes long.
Data: <@ÓáéQ > 40 D3 E1 E9 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000251E9E1D340, 320 bytes long.
Data: <@0âéQ ÚáéQ > 40 30 E2 E9 51 02 00 00 80 DA E1 E9 51 02 00 00
{268} normal block at 0x00000251E9E22460, 16 bytes long.
Data: <ð6âéQ > F0 36 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000251E9E22280, 16 bytes long.
Data: <È6âéQ > C8 36 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000251E9E1E3E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000251E9E22A50, 16 bytes long.
Data: < 6âéQ > A0 36 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000251E9E1DD80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000251E9E22500, 16 bytes long.
Data: <è5âéQ > E8 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000251E9E22EB0, 16 bytes long.
Data: <À5âéQ > C0 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000251E9E224B0, 16 bytes long.
Data: < 5âéQ > 98 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000251E9E22FF0, 16 bytes long.
Data: <p5âéQ > 70 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000251E9E222D0, 16 bytes long.
Data: <H5âéQ > 48 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000251E9E22820, 16 bytes long.
Data: < 5âéQ > 20 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000251E9E22AA0, 16 bytes long.
Data: <À âéQ > C0 19 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000251E9E219C0, 40 bytes long.
Data: < *âéQ ¶’ëQ > A0 2A E2 E9 51 02 00 00 00 B6 92 EB 51 02 00 00
{254} normal block at 0x00000251E9E22AF0, 16 bytes long.
Data: < 5âéQ > 00 35 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000251E9E22DC0, 16 bytes long.
Data: <Ø4âéQ > D8 34 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000251E9E1E200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000251E9E22730, 16 bytes long.
Data: <°4âéQ > B0 34 E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000251E9E234B0, 992 bytes long.
Data: <0'âéQ âáéQ > 30 27 E2 E9 51 02 00 00 00 E2 E1 E9 51 02 00 00
{86} normal block at 0x00000251E9E1DC60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000251E9E17C50, 16 bytes long.
Data: <p âéQ > 70 1F E2 E9 51 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000251E9E21F70, 40 bytes long.
Data: <P|áéQ `ÜáéQ > 50 7C E1 E9 51 02 00 00 60 DC E1 E9 51 02 00 00
{63} normal block at 0x00000251E9E177F0, 16 bytes long.
Data: < ê%ã÷ > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000251E9E18240, 16 bytes long.
Data: <@é%ã÷ > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000251E9E17890, 16 bytes long.
Data: <øW"ã÷ > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000251E9E18380, 16 bytes long.
Data: <ØW"ã÷ > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000251E9E17480, 16 bytes long.
Data: <P "ã÷ > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000251E9E17BB0, 16 bytes long.
Data: <0 "ã÷ > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000251E9E18330, 16 bytes long.
Data: <à "ã÷ > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000251E9E17750, 16 bytes long.
Data: < "ã÷ > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000251E9E181F0, 16 bytes long.
Data: <p "ã÷ > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000251E9E17ED0, 16 bytes long.
Data: < À ã÷ > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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